Chemical Properties of Ethyl orthoformate (CAS 122-51-0)

InChI

InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3

InChI Key

GKASDNZWUGIAMG-UHFFFAOYSA-N

Formula

C7H16O3

SMILES

CCOC(OCC)OCC

Molecular Weight¹

148.20

CAS

122-51-0

Other Names

• Ethane, 1,1',1''-[methylidynetris(oxy)]tris-
• Orthoformic acid, triethyl ester
• Aethon
• Ethone
• Orthoformic acid ethyl ester
• Triethoxymethane
• Triethyl orthoformate
• Triethoxmethane
• Ethyl formate(ortho)
• Ethylester kyseliny orthomravenci
• Methane, triethoxy-
• Orthomravencan ethylnaty
• 1,1',1''-(Methylidynetris(oxy))tris(ethane)
• Triethylester kyseliny orthomravenci
• UN 2524
• Triethyl ester of orthoformic acid
• NSC 5289

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-4365.50; -4359.90]	kJ/mol
ΔcH°liquid	-4365.50 ± 0.80	kJ/mol	NIST
ΔcH°liquid	-4359.90 ± 2.90	kJ/mol	NIST
ΔfH°gas	[-641.80; -630.60]	kJ/mol
ΔfH°gas	-630.60	kJ/mol	NIST
ΔfH°gas	-641.80	kJ/mol	NIST
ΔfH°gas	-635.30 ± 3.80	kJ/mol	NIST
ΔfH°liquid	[-687.00; -675.80]	kJ/mol
ΔfH°liquid	-675.80 ± 0.80	kJ/mol	NIST
ΔfH°liquid	-687.00	kJ/mol	NIST
ΔfH°liquid	-681.30 ± 2.90	kJ/mol	NIST
ΔfusH°	13.93	kJ/mol	Joback Calculated Property
ΔvapH°	[45.20; 49.00]	kJ/mol
ΔvapH°	47.80 ± 0.10	kJ/mol	NIST
ΔvapH°	49.00 ± 2.00	kJ/mol	NIST
ΔvapH°	45.23	kJ/mol	NIST
ΔvapH°	45.20	kJ/mol	NIST
ΔvapH°	46.02 ± 0.84	kJ/mol	NIST
ΔvapH°	46.00	kJ/mol	NIST
ΔvapH°	46.00 ± 0.80	kJ/mol	NIST
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-0.83		Relay (1.0) Calculated Property
logPoct/wat	1.380		Crippen Calculated Property
McVol	127.100	ml/mol	McGowan Calculated Property
Pc	2676.31	kPa	Joback Calculated Property
Inp	[884.70; 884.70]
Inp	884.70		NIST
Inp	884.70		NIST
I	1274.00		NIST
Tboil	[418.00; 419.20]	K
Tboil	419.20	K	NIST
Tboil	418.00 ± 1.00	K	NIST
Tboil	418.90 ± 0.30	K	NIST
Tboil	418.00 ± 2.50	K	NIST
Tboil	419.00 ± 2.00	K	NIST
Tc	557.38	K	Relay (1.0) Calculated Property
Tfus	197.10 ± 0.40	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[266.15; 330.96]	J/mol×K	[426.58; 595.36]
Cp,gas	266.15	J/mol×K	426.58	Joback Calculated Property
Cp,gas	277.60	J/mol×K	454.71	Joback Calculated Property
Cp,gas	288.81	J/mol×K	482.84	Joback Calculated Property
Cp,gas	299.76	J/mol×K	510.97	Joback Calculated Property
Cp,gas	310.45	J/mol×K	539.10	Joback Calculated Property
Cp,gas	320.85	J/mol×K	567.23	Joback Calculated Property
Cp,gas	330.96	J/mol×K	595.36	Joback Calculated Property
η	[0.0001652; 0.0033654]	Pa×s	[220.34; 426.58]
η	0.0033654	Pa×s	220.34	Joback Calculated Property
η	0.0014510	Pa×s	254.71	Joback Calculated Property
η	0.0007642	Pa×s	289.09	Joback Calculated Property
η	0.0004612	Pa×s	323.46	Joback Calculated Property
η	0.0003067	Pa×s	357.83	Joback Calculated Property
η	0.0002191	Pa×s	392.21	Joback Calculated Property
η	0.0001652	Pa×s	426.58	Joback Calculated Property
ΔvapH	[47.20; 49.00]	kJ/mol	[308.00; 348.50]
ΔvapH	49.00	kJ/mol	308.00	NIST
ΔvapH	47.20	kJ/mol	348.50	NIST

Similar Compounds

Find more compounds similar to Ethyl orthoformate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.